@MOLECULE 91936847 48 50 1 SMALL USER_CHARGES @ATOM 1 F1 5.1548 -4.9158 -3.6121 F 1 noname -0.2509 2 O1 -0.3141 4.1919 -0.1223 O.2 1 noname -0.2938 3 N1 1.4363 0.0382 0.1891 N.3 1 noname -0.0344 4 N2 1.9258 4.2228 -0.0011 N.3 1 noname -0.0730 5 C1 2.2756 -1.0914 0.2764 C.3 1 noname -0.0538 6 C2 2.6408 -1.5654 -1.1317 C.3 1 noname -0.0369 7 C3 0.0972 0.0123 0.1329 C.2 1 noname -0.0729 8 C4 -0.3607 1.3414 0.0262 C.2 1 noname -0.0116 9 C5 3.5516 -2.7912 -1.0369 C.3 1 noname -0.0493 10 C6 0.7483 2.1730 0.0430 C.2 1 noname 0.0069 11 C7 1.8497 1.3217 0.1485 C.2 1 noname -0.0605 12 C8 3.9168 -3.2653 -2.4451 C.3 1 noname -0.0245 13 C9 -0.8015 -1.0851 0.2553 C.2 1 noname -0.0415 14 C10 -1.7459 1.6590 -0.0088 C.2 1 noname -0.0336 15 C11 0.7610 3.5610 -0.0299 C.2 1 noname 0.0217 16 C12 -2.2050 -0.7814 0.2794 C.2 1 noname -0.0508 17 C13 -2.6698 0.5703 0.1338 C.2 1 noname -0.0531 18 C14 4.8275 -4.4910 -2.3503 C.3 1 noname 0.0895 19 C15 1.9387 5.6308 -0.0750 C.3 1 noname 0.0281 20 C16 3.3175 6.1082 -0.0246 C.2 1 noname -0.0486 21 C17 3.5836 7.4713 -0.0823 C.2 1 noname -0.0531 22 C18 4.3642 5.1997 0.0809 C.2 1 noname -0.0531 23 C19 4.8963 7.9258 -0.0343 C.2 1 noname -0.0594 24 C20 5.6769 5.6542 0.1289 C.2 1 noname -0.0594 25 C21 5.9429 7.0173 0.0712 C.2 1 noname -0.0613 26 H1 1.7558 -1.8903 0.8053 H 1 noname 0.0472 27 H2 3.1840 -0.8281 0.8182 H 1 noname 0.0472 28 H3 1.7324 -1.8287 -1.6735 H 1 noname 0.0283 29 H4 3.1607 -0.7666 -1.6606 H 1 noname 0.0283 30 H5 3.0317 -3.5901 -0.5081 H 1 noname 0.0268 31 H6 4.4600 -2.5279 -0.4952 H 1 noname 0.0268 32 H7 2.8227 1.6251 0.1889 H 1 noname 0.0799 33 H8 3.0084 -3.5286 -2.9868 H 1 noname 0.0293 34 H9 4.4366 -2.4664 -2.9739 H 1 noname 0.0293 35 H10 -0.4634 -2.0450 0.3228 H 1 noname 0.0642 36 H11 -2.0689 2.6189 -0.1300 H 1 noname 0.0629 37 H12 -2.8809 -1.5354 0.4016 H 1 noname 0.0623 38 H13 -3.6722 0.7590 0.1317 H 1 noname 0.0622 39 H14 4.3077 -5.2899 -1.8214 H 1 noname 0.0623 40 H15 5.7359 -4.2277 -1.8085 H 1 noname 0.0623 41 H16 2.7601 3.7333 0.0706 H 1 noname 0.1317 42 H17 1.3803 6.0439 0.7651 H 1 noname 0.0483 43 H18 1.4776 5.9498 -1.0097 H 1 noname 0.0483 44 H19 2.8155 8.1380 -0.1597 H 1 noname 0.0626 45 H20 4.1689 4.1994 0.1232 H 1 noname 0.0626 46 H21 5.0915 8.9261 -0.0766 H 1 noname 0.0622 47 H22 6.4449 4.9875 0.2063 H 1 noname 0.0622 48 H23 6.9062 7.3508 0.1064 H 1 noname 0.0622 @BOND 1 1 18 1 2 2 15 2 3 3 5 1 4 3 7 1 5 3 11 1 6 4 15 1 7 4 19 1 8 4 41 1 9 5 6 1 10 5 26 1 11 5 27 1 12 6 9 1 13 6 28 1 14 6 29 1 15 7 8 1 16 7 13 2 17 8 10 1 18 8 14 2 19 9 12 1 20 9 30 1 21 9 31 1 22 10 11 2 23 10 15 1 24 11 32 1 25 12 18 1 26 12 33 1 27 12 34 1 28 13 16 1 29 13 35 1 30 14 17 1 31 14 36 1 32 16 17 2 33 16 37 1 34 17 38 1 35 18 39 1 36 18 40 1 37 19 20 1 38 19 42 1 39 19 43 1 40 20 21 2 41 20 22 1 42 21 23 1 43 21 44 1 44 22 24 2 45 22 45 1 46 23 25 2 47 23 46 1 48 24 25 1 49 24 47 1 50 25 48 1 @SUBSTRUCTURE 1 noname 1